1-propan-2-ylspiro[2H-indole-3,4'-oxane]

C15H21NO — CID 146604363

IUPAC1-propan-2-ylspiro[2H-indole-3,4'-oxane]
SMILESCC(C)N1CC2(CCOCC2)c2ccccc21
InChIInChI=1S/C15H21NO/c1-12(2)16-11-15(7-9-17-10-8-15)13-5-3-4-6-14(13)16/h3-6,12H,7-11H2,1-2H3
InChIKeyFQLHCOYUNLVCSG-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.96
Rot. Bonds1

About 1-propan-2-ylspiro[2H-indole-3,4'-oxane]

1-propan-2-ylspiro[2H-indole-3,4'-oxane] (PubChem CID 146604363) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-propan-2-ylspiro[2H-indole-3,4'-oxane].

Molecular Properties

Compound Name1-propan-2-ylspiro[2H-indole-3,4'-oxane]
PubChem CID146604363
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-propan-2-ylspiro[2H-indole-3,4'-oxane]
SMILESCC(C)N1CC2(CCOCC2)c2ccccc21
InChIInChI=1S/C15H21NO/c1-12(2)16-11-15(7-9-17-10-8-15)13-5-3-4-6-14(13)16/h3-6,12H,7-11H2,1-2H3
InChIKeyFQLHCOYUNLVCSG-UHFFFAOYSA-N
XLogP2.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylspiro[2H-indole-3,4'-oxane]?
The IUPAC name of 1-propan-2-ylspiro[2H-indole-3,4'-oxane] (CID 146604363) is 1-propan-2-ylspiro[2H-indole-3,4'-oxane].
What is the SMILES notation for 1-propan-2-ylspiro[2H-indole-3,4'-oxane]?
The canonical SMILES for 1-propan-2-ylspiro[2H-indole-3,4'-oxane] is CC(C)N1CC2(CCOCC2)c2ccccc21.
What is the InChIKey of 1-propan-2-ylspiro[2H-indole-3,4'-oxane]?
The InChIKey is FQLHCOYUNLVCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12(2)16-11-15(7-9-17-10-8-15)13-5-3-4-6-14(13)16/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 1-propan-2-ylspiro[2H-indole-3,4'-oxane]?
1-propan-2-ylspiro[2H-indole-3,4'-oxane] has a molecular weight of 231.34 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylspiro[2H-indole-3,4'-oxane] is sourced from PubChem (CID 146604363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).